SCHEMBL3109962

SCHEMBL3109962

NS(=O)(=O)c1ccc(-n2nc(Cc3ccccc3)nc2CNCc2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
NAMPT P43490 4/20 0.46
CA1 P00915 6/20 0.44
PTGS2 P35354 2/20 0.44
CA9 Q16790 4/20 0.42
CA12 O43570 3/20 0.41
PDPK1 O15530 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3106373 0.85 PTGS2 (0.48) CA2CA1PTGS2CA9CA12
SCHEMBL3098272 0.84 CA2 (0.47) CA2CA1PTGS2CA9CA12
SCHEMBL13099967 0.83 PTGS2 (0.51) CA2CA1PTGS2CA9CA12
SCHEMBL3108950 0.83 CA1 (0.51) CA2CA1PTGS2CA9CA12
SCHEMBL3106885 0.81 PTGS2 (0.45) CA2CA1PTGS2CA9CA12
SCHEMBL3105400 0.81 PTGS2 (0.45) CA2CA1PTGS2CA9CA12
SCHEMBL13099971 0.80 PTGS2 (0.48) CA2CA1PTGS2CA9CA12
SCHEMBL3111561 0.80 PTGS2 (0.46) CA2CA1PTGS2CA9CA12
SCHEMBL3118336 0.79 NAMPT (0.46) CA2NAMPTCA1PTGS2KMT2A
SCHEMBL3237230 0.79 CA2 (0.55) CA2CA1PTGS2CA9CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 CA2 1/4885NAMPT 460/4885CA1 7/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.